2PNG
Type I rat fatty acid synthase acyl carrier protein (ACP) domain
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C-separated_NOESY | 1-2MM ACP; 20MM SODIUM DEUTEROACETATE, 1MM NAN3, 1MMDTT, PH 5.5 | 20MM SODIUM DEUTEROACETATE, 1MM NAN3, 1MMDTT, PH 5.5 | 20mM SODIUM ACETATE | 5.5 | 1 atm | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | CNS | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 30 |
| Representative Model | 1 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CNS | 1.1 | |
| 2 | data analysis | NMRPipe | ||
| 3 | data analysis | CCPN Analysis | ||
| 4 | structure solution | ARIA | 1.2 | |
